REMARK  Name = BDB061119
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.864  -0.443   0.245  0.00  0.00    +0.064 C 
ATOM      2  C   LIG    1       -2.622   0.479  -0.620  0.00  0.00    +0.115 C 
ATOM      3  C   LIG    1       -2.440   1.939  -0.377  0.00  0.00    +0.203 C 
ATOM      4  C   LIG    1       -3.142   2.413  -1.603  0.00  0.00    +0.068 C 
ATOM      5  N   LIG    1       -3.682   1.452  -2.293  0.00  0.00    -0.156 NA
ATOM      6  C   LIG    1       -3.253   3.855  -1.952  0.00  0.00    +0.065 C 
ATOM      7  N   LIG    1       -1.014   2.293  -0.377  0.00  0.00    -0.268 NA
ATOM      8  C   LIG    1       -0.219   1.369   0.058  0.00  0.00    +0.069 C 
ATOM      9  N   LIG    1       -3.342   0.209  -1.663  0.00  0.00    -0.150 NA
ATOM     10  C   LIG    1       -0.644   0.017   0.555  0.00  0.00    +0.053 C 
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        1.241   1.645   0.125  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        2.176   0.659  -0.197  0.00  0.00    +0.034 A 
ATOM     13  C   LIG    1        3.543   0.920  -0.076  0.00  0.00    +0.051 A 
ATOM     14  C   LIG    1        3.993   2.180   0.357  0.00  0.00    -0.028 A 
ATOM     15  C   LIG    1        5.452   2.496   0.529  0.00  0.00    +0.046 C 
ATOM     16  C   LIG    1        3.042   3.176   0.635  0.00  0.00    +0.006 A 
ATOM     17  C   LIG    1        1.676   2.913   0.516  0.00  0.00    +0.010 A 
BRANCH  13  18
ATOM     18  N   LIG    1        4.464  -0.146  -0.355  0.00  0.00    -0.221 N 
ATOM     19  H   LIG    1        5.405   0.189  -0.566  0.00  0.00    +0.173 HD
BRANCH  18  20
ATOM     20  S   LIG    1        4.585  -1.346   0.849  0.00  0.00    +0.040 S 
ATOM     21  O   LIG    1        5.794  -1.058   1.589  0.00  0.00    -0.155 OA
ATOM     22  O   LIG    1        3.307  -1.532   1.502  0.00  0.00    -0.155 OA
ATOM     23  C   LIG    1        4.881  -2.772  -0.172  0.00  0.00    +0.218 C 
ENDBRANCH  18  20
ENDBRANCH  13  18
ENDBRANCH   8  11
BRANCH   1  25
ATOM     24  C   LIG    1       -3.615  -2.098   0.644  0.00  0.00    +0.405 C 
ATOM     25  N   LIG    1       -2.315  -1.677   0.628  0.00  0.00    -0.249 N 
ATOM     26  H   LIG    1       -1.670  -2.338   1.037  0.00  0.00    +0.158 HD
ATOM     27  O   LIG    1       -4.609  -1.419   0.445  0.00  0.00    -0.226 OA
BRANCH  24  28
ATOM     28  O   LIG    1       -3.632  -3.409   1.003  0.00  0.00    -0.450 OA
BRANCH  28  30
ATOM     29  C   LIG    1       -5.366  -4.508  -0.287  0.00  0.00    +0.048 C 
ATOM     30  C   LIG    1       -4.932  -4.015   1.081  0.00  0.00    +0.230 C 
ENDBRANCH  28  30
ENDBRANCH  24  28
ENDBRANCH   1  25
TORSDOF 6